Merge pull request #6 from fkfest/auto/from-devel-repo

Merge changes from development repository

Author: dnkats

CHANGELOG.md

@@ -1,5 +1,11 @@
 # Release notes
 
+## Version [v0.11.1] - 2024.04.12
+
+### Changed
+
+* Remove `ArgParse` dependency and set `[compat]` section in `Project.toml`.
+
 ## Version [v0.11.0] - 2024.04.12
 
 ### Breaking

Project.toml

@@ -1,10 +1,9 @@
 name = "ElemCo"
 uuid = "094d408e-8508-40f4-9646-a254980d91ac"
 authors = ["Daniel Kats <d.kats@fkf.mpg.de> and contributors"]
-version = "0.11.0"
+version = "0.11.1"
 
 [deps]
-ArgParse = "c7e460c6-2fb9-53a9-8c5b-16f535851c63"
 AtomsBase = "a963bdd2-2df7-4f54-a1ee-49d51e6be12a"
 Dates = "ade2ca70-3891-5945-98fb-dc099432e06a"
 DocStringExtensions = "ffbed154-4ef7-542d-bbb7-c09d3a79fcae"
@@ -21,8 +20,17 @@ Unitful = "1986cc42-f94f-5a68-af5c-568840ba703d"
 UnitfulAtomic = "a7773ee8-282e-5fa2-be4e-bd808c38a91a"
 
 [compat]
-TensorOperations = ">=3.2.5"
 julia = "1.8.5"
+AtomsBase = "0.3.5 - 0.3"
+DocStringExtensions = "0.9"
+GaussianBasis = "0.4"
+IterativeSolvers = "0.9"
+MKL = "0.6"
+NPZ = "0.4"
+TensorOperations = "3.2.5 - 4"
+Unitful = "1"
+UnitfulAtomic = "1"
+
 
 [extras]
 Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"

src/ElemCo.jl

@@ -69,7 +69,7 @@ export @ECinit, @tryECinit, @set, @opt, @reset, @run, @method2string
 export @transform_ints, @write_ints, @dfints, @freeze_orbs, @rotate_orbs
 export @dfhf, @dfuhf, @cc, @dfcc, @bohf, @bouhf
 
-const __VERSION__ = "0.11.0"
+const __VERSION__ = "0.11.1"
 
 """
     __init__()